2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

C34H41N7O5 — CID 164865469

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 164865469) has the molecular formula C34H41N7O5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 164865469
• Molecular Formula: C34H41N7O5
• Molecular Weight: 627.75 g/mol
• Exact Mass: 627.32
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(C(=O)N7CCCCC7)cn6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C34H41N7O5/c42-30-9-7-28(31(43)36-30)41-33(45)26-6-5-25(20-27(26)34(41)46)38-18-16-37(17-19-38)22-23-10-14-39(15-11-23)29-8-4-24(21-35-29)32(44)40-12-2-1-3-13-40/h4-6,8,20-21,23,28H,1-3,7,9-19,22H2,(H,36,42,43)
• InChIKey: FWXWWBNLAGTNQO-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 126.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.75
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (CID 164865469) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(C(=O)N7CCCCC7)cn6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is FWXWWBNLAGTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O5/c42-30-9-7-28(31(43)36-30)41-33(45)26-6-5-25(20-27(26)34(41)46)38-18-16-37(17-19-38)22-23-10-14-39(15-11-23)29-8-4-24(21-35-29)32(44)40-12-2-1-3-13-40/h4-6,8,20-21,23,28H,1-3,7,9-19,22H2,(H,36,42,43).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 627.75 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 164865469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).